4-(benzylamino)-2,5-dichlorobenzenediazonium tetrafluoroborate

C13H10BCl2F4N3 — CID 21402812

IUPAC4-(benzylamino)-2,5-dichlorobenzenediazonium tetrafluoroborate
SMILESF[B-](F)(F)F.N#[N+]c1cc(Cl)c(NCc2ccccc2)cc1Cl
InChIInChI=1S/C13H10Cl2N3.BF4/c14-10-7-13(18-16)11(15)6-12(10)17-8-9-4-2-1-3-5-9;2-1(3,4)5/h1-7,17H,8H2;/q+1;-1
InChIKeyNYKRYXKHFFEEJJ-UHFFFAOYSA-N
MW365.95 g/mol
LogP6.39
Rot. Bonds3

About 4-(benzylamino)-2,5-dichlorobenzenediazonium tetrafluoroborate

4-(benzylamino)-2,5-dichlorobenzenediazonium tetrafluoroborate (PubChem CID 21402812) has the molecular formula C13H10BCl2F4N3 and a molecular weight of 365.95 g/mol. Its IUPAC name is 4-(benzylamino)-2,5-dichlorobenzenediazonium tetrafluoroborate.

Molecular Properties

Compound Name4-(benzylamino)-2,5-dichlorobenzenediazonium tetrafluoroborate
PubChem CID21402812
Molecular FormulaC13H10BCl2F4N3
Molecular Weight365.95 g/mol
Exact Mass365.03
IUPAC Name4-(benzylamino)-2,5-dichlorobenzenediazonium tetrafluoroborate
SMILESF[B-](F)(F)F.N#[N+]c1cc(Cl)c(NCc2ccccc2)cc1Cl
InChIInChI=1S/C13H10Cl2N3.BF4/c14-10-7-13(18-16)11(15)6-12(10)17-8-9-4-2-1-3-5-9;2-1(3,4)5/h1-7,17H,8H2;/q+1;-1
InChIKeyNYKRYXKHFFEEJJ-UHFFFAOYSA-N
XLogP6.39
TPSA40.18 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.95
LogP ≤ 56.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Azo_group', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

N-benzyl-2-chloro-5-methylaniline
CID 83290853
1-N-benzyl-4-chloro-5-fluorobenzene-1,2-diamine
CID 66079323
2-[[3-(benzylamino)-4-chlorophenyl]methyl]-2-methylbutanoic acid
CID 67215843
4-(benzylamino)-2,5-diethoxybenzenediazonium chloride
CID 21441178
4-[(2,4,5-trichloroanilino)methyl]phenol
CID 28536282
N-benzyl-2-(benzylamino)-4-chloro-5-sulfamoylbenzamide
CID 126508254
2,5-dichloro-N-[(4-fluorophenyl)methyl]-4-methylaniline
CID 113445808
N-benzyl-2-bromo-3-chloroaniline
CID 103477865
2-N-benzyl-4,5-difluorobenzene-1,2-diamine
CID 130536602
methyl 5-(benzylamino)-4-chloro-2-(furan-2-ylmethylamino)benzoate
CID 71063330
2-(benzylamino)-4-chlorobenzonitrile
CID 43681577
5-(benzylamino)-2-chlorobenzenethiol
CID 4713024

Frequently Asked Questions

What is the IUPAC name of 4-(benzylamino)-2,5-dichlorobenzenediazonium tetrafluoroborate?
The IUPAC name of 4-(benzylamino)-2,5-dichlorobenzenediazonium tetrafluoroborate (CID 21402812) is 4-(benzylamino)-2,5-dichlorobenzenediazonium tetrafluoroborate.
What is the SMILES notation for 4-(benzylamino)-2,5-dichlorobenzenediazonium tetrafluoroborate?
The canonical SMILES for 4-(benzylamino)-2,5-dichlorobenzenediazonium tetrafluoroborate is F[B-](F)(F)F.N#[N+]c1cc(Cl)c(NCc2ccccc2)cc1Cl.
What is the InChIKey of 4-(benzylamino)-2,5-dichlorobenzenediazonium tetrafluoroborate?
The InChIKey is NYKRYXKHFFEEJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10Cl2N3.BF4/c14-10-7-13(18-16)11(15)6-12(10)17-8-9-4-2-1-3-5-9;2-1(3,4)5/h1-7,17H,8H2;/q+1;-1.
What are the key properties of 4-(benzylamino)-2,5-dichlorobenzenediazonium tetrafluoroborate?
4-(benzylamino)-2,5-dichlorobenzenediazonium tetrafluoroborate has a molecular weight of 365.95 g/mol, XLogP of 6.39, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzylamino)-2,5-dichlorobenzenediazonium tetrafluoroborate is sourced from PubChem (CID 21402812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).